[Pw_forum] ld1.x & US requires...

[e kb]

Dear Paul,
For 3d, I guess you can use the Fe psp input in the paw_library. Try commenting the  PAW tags if you want to have an input sample for ultrasoft to work on.. But, you may as well start using PAW instead.
Emine Kucukbenli, PhD student, SISSA, Italy

--- On Thu, 3/12/09, Paul M. Grant <w2agz at pacbell.net> wrote:
From: Paul M. Grant <w2agz at pacbell.net>
Subject: Re: [Pw_forum] ld1.x & US requires...
To: "'PWSCF Forum'" <pw_forum at pwscf.org>
Date: Thursday, March 12, 2009, 5:10 PM

Thanks, Paolo.  Actually, I was aware of that library of ld1.x input
examples, but what I was actually asking about were there any similar
examples for the 3d
 TMs around somewhere.  I should have been more
 specific.

Paul M. Grant, PhD
Principal, W2AGZ Technologies
Visiting Scholar, Applied Physics, Stanford (2005-2008)
EPRI Science Fellow (Retired)
IBM Research Staff Member Emeritus
w2agz at pacbell.net
http://www.w2agz.com
 
 


-----Original Message-----
From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On
Behalf Of Paolo Giannozzi
Sent: Thursday, March 12, 2009 12:21 AM
To: PWSCF Forum
Subject: Re: [Pw_forum] ld1.x & US requires...


On Mar 12, 2009, at 5:29 , Paul M. Grant wrote:

> as far as I could find, none provided a large number of input examples
> one could play around with

see atomic_doc/pseudo_library
---
Paolo Giannozzi, Democritos and University of Udine, Italy


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